General
Preferred name
CALCIUM CITRATE
Synonyms
Calcium citrate anhydrous ()
Citracal ()
Tricalcium dicitrate tetrahydrate ()
Calcium citrate tetrahydrate ()
INS-333(III) ()
Calcimax ()
E-333(III) ()
INS NO.333(III) ()
Tricalcium citrate tetrahydrate ()
Calcium (as citrate) ()
P&D ID
PD053874
CAS
813-94-5
5785-44-4
12405-04-8
Tags
available
drug
Drug Status
investigational
approved
Max Phase
Phase 4
Drug indication
Supplement (calcium)
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
ChEMBL Approved Drugs
ChEMBL Drugs
DrugBank
DrugBank Approved Drugs
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
497.89
Hydrogen Bond Acceptors
14
Hydrogen Bond Donors
2
Rotatable Bonds
10
Ring Count
0
Aromatic Ring Count
0
cLogP
-11.65
TPSA
281.24
Fraction CSP3
0.5
Chiral centers
0.0
Largest ring
0.0
QED
0.26
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
